1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide

C24H35N5O2 — CID 110237924

IUPAC1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)Cc2nc(N3CCCC3)ncc2C(NC(=O)C2CC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C24H35N5O2/c1-24(2)12-19(18-14-25-23(27-20(18)13-24)28-9-5-6-10-28)26-22(31)16-11-21(30)29(15-16)17-7-3-4-8-17/h14,16-17,19H,3-13,15H2,1-2H3,(H,26,31)
InChIKeyGIAOJOVFEGZBOU-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110237924) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110237924
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)Cc2nc(N3CCCC3)ncc2C(NC(=O)C2CC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C24H35N5O2/c1-24(2)12-19(18-14-25-23(27-20(18)13-24)28-9-5-6-10-28)26-22(31)16-11-21(30)29(15-16)17-7-3-4-8-17/h14,16-17,19H,3-13,15H2,1-2H3,(H,26,31)
InChIKeyGIAOJOVFEGZBOU-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
CID 110237920
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110237907
N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide
CID 45221847
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
CID 110237895
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110237898
1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 45179973
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide
CID 45241281
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-methoxyacetamide
CID 110245485
1-cyclohexyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3637915
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 25461451

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 110237924) is 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide is CC1(C)Cc2nc(N3CCCC3)ncc2C(NC(=O)C2CC(=O)N(C3CCCC3)C2)C1.
What is the InChIKey of 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GIAOJOVFEGZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-24(2)12-19(18-14-25-23(27-20(18)13-24)28-9-5-6-10-28)26-22(31)16-11-21(30)29(15-16)17-7-3-4-8-17/h14,16-17,19H,3-13,15H2,1-2H3,(H,26,31).
What are the key properties of 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110237924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).